2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide

C17H18ClN3O3 — CID 142901503

IUPAC2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(C)c(Cl)c1)CC2
InChIInChI=1S/C17H18ClN3O3/c1-10-3-4-11(7-13(10)18)8-21-6-5-20-9-12(16(23)19-2)15(22)14(20)17(21)24/h3-4,7,9,22H,5-6,8H2,1-2H3,(H,19,23)
InChIKeyQXMXQPFSQKUAEU-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.17
Rot. Bonds3

About 2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide

2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 142901503) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID142901503
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(C)c(Cl)c1)CC2
InChIInChI=1S/C17H18ClN3O3/c1-10-3-4-11(7-13(10)18)8-21-6-5-20-9-12(16(23)19-2)15(22)14(20)17(21)24/h3-4,7,9,22H,5-6,8H2,1-2H3,(H,19,23)
InChIKeyQXMXQPFSQKUAEU-UHFFFAOYSA-N
XLogP2.17
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 3011082
N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 3011072
7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane
CID 90901471
2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54705294
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(2-methoxyethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54683908
11-[(3,4-dichlorophenyl)methyl]-8-hydroxy-5-methyl-1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene-6,10-dione
CID 54692335
9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 134385066
N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 67106005
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 1482990
2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide
CID 54705301
2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate
CID 67516929
9-hydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 134385056

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (CID 142901503) is 2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is CNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(C)c(Cl)c1)CC2.
What is the InChIKey of 2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is QXMXQPFSQKUAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-10-3-4-11(7-13(10)18)8-21-6-5-20-9-12(16(23)19-2)15(22)14(20)17(21)24/h3-4,7,9,22H,5-6,8H2,1-2H3,(H,19,23).
What are the key properties of 2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 142901503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).